General Information of the Compound
Compound ID
CP0326220
Compound Name
2-[(E)-2-(2-fluorophenyl)ethenyl]sulfonylpyridine
    Show/Hide
Structure
Formula
C13H10FNO2S
Molecular Weight
263.293
Canonical SMILES
Fc1ccccc1\C=C\S(=O)(=O)c1ccccn1
    Show/Hide
InChI
InChI=1S/C13H10FNO2S/c14-12-6-2-1-5-11(12)8-10-18(16,17)13-7-3-4-9-15-13/h1-10H/b10-8+
    Show/Hide
InChIKey
KXFVCGUHFLJPAB-CSKARUKUSA-N
Physicochemical Property
logP
2.6653
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
47.03
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
18

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 155560023
ChEMBL ID
CHEMBL4564090
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04367, Nuclear factor erythroid 2-related factor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 = 1007 nM
   TI
   LI
   LO
   TS